Literature DB >> 9944570

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density.

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Abstract

Year:  1988        PMID： 9944570     DOI： 10.1103/physrevb.37.785

Source DB:  PubMed          Journal:  Phys Rev B Condens Matter        ISSN： 0163-1829


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  2000 in total

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Authors:  L A Gross; G S Baird; R C Hoffman; K K Baldridge; R Y Tsien
Journal:  Proc Natl Acad Sci U S A       Date:  2000-10-24       Impact factor: 11.205

5.  A study on the mechanism of the proton transport in bacteriorhodopsin: the importance of the water molecule.

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7.  Experimental determination and calculations of redox potential descriptors of compounds directed against retroviral zinc fingers: Implications for rational drug design.

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8.  A computer-aided quantum chemical study of the N(15)(-) cluster.

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9.  QSAR of benzene derivatives: comparison of classical descriptors, quantum theoretic parameters and flip regression, exemplified by phenylalkylamine hallucinogens.

Authors:  Brian W Clare
Journal:  J Comput Aided Mol Des       Date:  2002 Aug-Sep       Impact factor: 3.686

10.  An experimental and theoretical structural study of 5-amino-3-methylisoxazolo-4-carboxylic acid p-chlorophenylamide.

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